SCHEMBL17508454

SCHEMBL17508454

CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(O)n4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 20/20 0.84
▸ PDE2A O00408 4/20 0.81
▸ PDE8A O60658 4/20 0.81
▸ PDE5A O76074 4/20 0.81
▸ PDE3B Q13370 4/20 0.81
▸ PDE11A Q9HCR9 4/20 0.81
▸ PDE7B Q9NP56 4/20 0.81
▸ PDE10A Q9Y233 4/20 0.81
▸ PDE9A O76083 3/20 0.81
▸ PDE1B Q01064 1/20 0.81
▸ PDE4B Q07343 1/20 0.81
▸ PDE4C Q08493 1/20 0.81
▸ PDE4D Q08499 1/20 0.81

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21182694 1.00 PDE4A (0.84) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL19217069 0.98 PDE4A (0.81) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL18380631 0.92 PDE4A (0.85) PDE4APDE2APDE8APDE5APDE3B
Lenrispodun SCHEMBL18771113 0.91 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
Lenrispodun SCHEMBL18211963 0.91 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
Lenrispodun SCHEMBL29415040 0.91 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
Lenrispodun SCHEMBL16324627 0.91 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
Lenrispodun SCHEMBL10201342 0.91 PDE4A (1.00) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL23679709 0.90 PDE4A (0.81) PDE4APDE2APDE8APDE5APDE3B
SCHEMBL20341393 0.90 PDE4A (0.97) PDE4APDE2APDE8APDE5APDE3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177627-B1 IMIDAZO[1,2-A]-PYRAZOLO[4,3-E]-PYRIMIDIN-4-ONE DERIVATIVES WITH PDE1 INHIBITING ACTIVITY INTRA CELLULAR THERAPIES INC (US) 2019-07-24 — — EP claimed
EP-3177627-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2017-06-14 — — EP claimed
WO-2016022893-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-02-11 — — WO claimed
US-20230355625-A1 METHODS OF TREATMENT INTRA-CELLULAR THERAPIES, INC. 2023-11-09 — — US disclosed
US-20230355625-A1 METHODS OF TREATMENT INTRA-CELLULAR THERAPIES, INC. 2023-11-09 — — US disclosed
US-20230338385-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2023-10-26 — — US disclosed
US-20230338385-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2023-10-26 — — US disclosed
US-11759465-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2023-09-19 — — US disclosed
US-11759465-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2023-09-19 — — US disclosed
US-20220280517-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2022-09-08 — — US disclosed
US-20210369715-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2021-12-02 — — US disclosed
US-20210338679-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-04 — — US disclosed
US-20200289519-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2020-09-17 — — US disclosed
EP-3177627-B1 IMIDAZO[1,2-A]-PYRAZOLO[4,3-E]-PYRIMIDIN-4-ONE DERIVATIVES WITH PDE1 INHIBITING ACTIVITY INTRA CELLULAR THERAPIES INC (US) 2019-07-24 — — EP disclosed
US-20170226117-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2017-08-10 — — US disclosed
US-20170226117-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2017-08-10 — — US disclosed
EP-3177627-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2017-06-14 — — EP disclosed
WO-2016022893-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-02-11 — — WO disclosed
WO-2016022893-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-02-11 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170226117-A1 ORGANIC COMPOUNDS PRKG1, PDE2A, PDE3B PDE4A 8/4885PDE2A 2/4885PDE8A 323/4885
US-20230355625-A1 METHODS OF TREATMENT PDE1A, PDE1B, PDE7A PDE4A 4/4885PDE2A 10/4885PDE8A 16/4885
US-20210338679-A1 NOVEL USES PDE2A, PDE7A, PDE4A PDE4A 3/4885PDE2A 1/4885PDE8A 18/4885
US-20200289519-A1 NOVEL USES ADORA2A, ATP2A1, ADORA2B PDE4A 11/4885PDE2A 4/4885PDE8A 34/4885
US-20230338385-A1 NOVEL USES ADORA2A, ATP2A1, ADORA2B PDE4A 11/4885PDE2A 4/4885PDE8A 34/4885
US-20220280517-A1 ORGANIC COMPOUNDS PDE3A, PDE3B, PDE2A PDE4A 11/4885PDE2A 3/4885PDE8A 161/4885
US-20210369715-A1 NOVEL USES PDE2A, PDE7A, PDE4A PDE4A 3/4885PDE2A 1/4885PDE8A 18/4885
US-11759465-B2 Uses ADORA2A, ADORA2B, ADORA1 PDE4A 12/4885PDE2A 4/4885PDE8A 55/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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